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198 changes: 180 additions & 18 deletions paper/paper.bib
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@article{Chambers:1999,
title = {A hybrid symplectic integrator that permits close encounters between massive bodies},
volume = {304},
url = {http://adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1999MNRAS.304..793C&link_type=ABSTRACT},
doi = {10.1046/j.1365-8711.1999.02379.x},
number = {4},
author = {Chambers, J E},
month = apr,
year = {1999},
pages = {793--799},
}

@article{Duncan:1998,
title = {A {Multiple} {Time} {Step} {Symplectic} {Algorithm} for {Integrating} {Close} {Encounters}},
volume = {116},
url = {http://stacks.iop.org/1538-3881/116/i=4/a=2067},
doi = {10.1086/300541},
number = {4},
journal = {The Astronomical Journal},
author = {Duncan, Martin J and Levison, Harold F and Lee, Man Hoi},
month = oct,
year = {1998},
pages = {2067--2077},
}


@article{Grimm:2022,
title = {{GENGA}. {II}. {GPU} {Planetary} {N}-body {Simulations} with {Non}-{Newtonian} {Forces} and {High} {Number} of {Particles}},
volume = {932},
issn = {0004-637X},
url = {https://dx.doi.org/10.3847/1538-4357/ac6dd2},
doi = {10.3847/1538-4357/ac6dd2},
language = {en},
number = {2},
urldate = {2023-10-06},
journal = {The Astrophysical Journal},
author = {Grimm, Simon L. and Stadel, Joachim G. and Brasser, Ramon and Meier, Matthias M. M. and Mordasini, Christoph},
month = jun,
year = {2022},
pages = {124},
}


@misc{kaufmann_swifter_nodate,
title = {Swifter},
url = {https://www.boulder.swri.edu/swifter/},
abstract = {The Swifter software package, written by David E. Kaufmann, is a completely redesigned and improved version of the Swift package of Hal Levison and Martin Duncan. Like Swift, Swifter is designed to integrate a set of mutually gravitationally interacting bodies together with a group of massless test particles that feel the gravitational influence of the massive bodies but do not affect each other or the massive bodies. In addition, the SyMBA integrator supports a second class of massive bodies whose masses are less than some user-specified value. These bodies gravitationally interact with the more massive bodies, but do not interact with each other. Seven integration techniques are included in the current beta release of Swifter:},
urldate = {2023-10-06},
journal = {Swifter — an improved solar system integration software package},
author = {Kaufmann, David E.},
}

@article{Leinhardt:2012,
title = {Collisions between {Gravity}-dominated {Bodies}. {I}. {Outcome} {Regimes} and {Scaling} {Laws}},
volume = {745},
url = {http://stacks.iop.org/0004-637X/745/i=1/a=79},
doi = {10.1088/0004-637X/745/1/79},
number = {1},
journal = {The Astrophysical Journal},
author = {Leinhardt, Zoë M and Stewart, Sarah T},
month = jan,
year = {2012},
pages = {79},
}


@article{Levison:1994,
Author = {{Levison}, H. and {Duncan}, M.},
Journal = {Icarus},
Expand All @@ -9,24 +75,120 @@ @article{Levison:1994
url = {https://www.sciencedirect.com/science/article/pii/S0019103584710396?via%3Dihub}
}

@article{Duncan:1998,
Author = {{Duncan}, M., {Levison}, H., and {Lee}, M. H.},
Journal = {The Astronomical Journal},
Title = {{A Multiple Time Step Symplectic Algorithm for Integrating Close Encounters}},
Year = 1998,
Month = oct,
Volume = 116,
DOI = {10.1086/300541},
url = {https://iopscience.iop.org/article/10.1086/300541}

@article{Levison:2000,
title = {Symplectically {Integrating} {Close} {Encounters} with the {Sun}},
volume = {120},
issn = {0004-6256},
url = {http://dx.doi.org/10.1086/301553},
doi = {10.1086/301553},
number = {4},
journal = {The Astronomical Journal},
author = {Levison, Harold F. and Duncan, Martin J.},
month = oct,
year = {2000},
pages = {2117--2123},
}

@article{Leinhardt:2012,
Author = {{Leinhardt}, Z. and {Stewart}, S.},
Journal = {The Astronomical Journal},
Title = {{Collisions between Gravity-dominated Bodies. I. Outcome Regimes and Scaling Laws.}},
Year = 2012,
Month = dec,
Volume = 745,
DOI = {10.1088/0004-637X/745/1/79},
url = {https://iopscience.iop.org/article/10.1088/0004-637X/745/1/79}
@article{Moore:2011,
title = {{QYMSYM}: {A} {GPU}-accelerated hybrid symplectic integrator that permits close encounters},
volume = {16},
url = {http://adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2011NewA...16..445M&link_type=ABSTRACT},
doi = {10.1016/j.newast.2011.03.009},
number = {7},
journal = {New Astronomy},
author = {Moore, Alexander and Quillen, Alice C},
month = nov,
year = {2011},
pages = {445--455},
}

@article{Rein:2012,
title = {{REBOUND}: an open-source multi-purpose {N}-body code for collisional dynamics},
volume = {537},
url = {http://www.aanda.org/10.1051/0004-6361/201118085},
doi = {10.1051/0004-6361/201118085},
journal = {Astronomy \& Astrophysics},
author = {Rein, H and Liu, S F},
month = jan,
year = {2012},
pages = {A128},
}


@article{Rein:2015,
title = {`whfast`': a fast and unbiased implementation of a symplectic {Wisdom}–{Holman} integrator for long-term gravitational simulations},
volume = {452},
issn = {0035-8711},
shorttitle = {whfast},
url = {https://doi.org/10.1093/mnras/stv1257},
doi = {10.1093/mnras/stv1257},
number = {1},
urldate = {2023-10-06},
journal = {Monthly Notices of the Royal Astronomical Society},
author = {Rein, Hanno and Tamayo, Daniel},
month = sep,
year = {2015},
pages = {376--388},
}


@article{Rein:2019,
title = {Hybrid symplectic integrators for planetary dynamics},
volume = {485},
issn = {0035-8711},
url = {https://academic.oup.com/mnras/article/485/4/5490/5380811},
doi = {10.1093/mnras/stz769},
number = {4},
journal = {Monthly Notices of the Royal Astronomical Society},
author = {Rein, Hanno and Hernandez, David M. and Tamayo, Daniel and Brown, Garett and Eckels, Emily and Holmes, Emma and Lau, Michelle and Leblanc, Réjean and Silburt, Ari},
month = jun,
year = {2019},
pages = {5490--5497},
}

@misc{rein_welcome_nodate,
title = {Welcome to {REBOUND} - {REBOUND}},
url = {https://rebound.readthedocs.io/en/latest/},
urldate = {2023-10-06},
journal = {Welcome to REBOUND - REBOUND},
author = {Rein, Hanno},
}

@article{Saha:1994,
title = {Long-term planetary integration with individual time steps},
volume = {108},
url = {http://adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1994AJ....108.1962S&link_type=ABSTRACT},
doi = {10.1086/117210},
journal = {The Astronomical Journal},
author = {Saha, Prasenjit and Tremaine, Scott},
month = nov,
year = {1994},
pages = {1962--1969},
}

@article{Stewart:2012,
title = {Collisions between {Gravity}-dominated {Bodies}. {II}. {The} {Diversity} of {Impact} {Outcomes} during the {End} {Stage} of {Planet} {Formation}},
volume = {751},
url = {http://stacks.iop.org/0004-637X/751/i=1/a=32},
doi = {10.1088/0004-637X/751/1/32},
number = {1},
journal = {The Astrophysical Journal},
author = {Stewart, Sarah T and Leinhardt, Zoë M},
month = jan,
year = {2012},
pages = {32},
}


@article{Wisdom:1991,
title = {Symplectic maps for the n-body problem},
volume = {102},
url = {http://adsabs.harvard.edu/cgi-bin/bib_query?1991AJ....102.1528W},
doi = {10.1086/115978},
journal = {The Astronomical Journal},
author = {Wisdom, Jack and Holman, Matthew},
month = oct,
year = {1991},
pages = {1528--1538},
}
63 changes: 48 additions & 15 deletions paper/paper.md
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Expand Up @@ -9,23 +9,35 @@ tags:
- Planetary Systems
authors:
- name: Carlisle Wishard
affiliation: "1,4"
orcid: 0009-0001-0733-3268
equal-contrib: true
corresponding: true
affiliation: 1
- name: David Minton
equal-contrib: true
affiliation: 1
- name: Jennifer Pouplin
affiliation: "1"
- name: Jake Elliott
affiliation: "1,3"
- name: Jacob Elliott
affiliation: "1"
- name: Dana Singh
affiliation: "5"
- name: Kaustub Anand
affiliation: "1, 2"
- name: David Minton
affiliation: "1"
orcid: 0000-0003-1656-9704
equal-contrib: true
corresponding: true
affiliations:
- name: Department of Earth, Atmospheric, and Planetary Sciences, Purdue University, USA
index: 1
date: 05 April 2023
- name: Department of Earth, Atmospheric, and Planetary Sciences, Purdue University, USA
index: 1
- name: School of Aeronautics and Astronautics, Purdue University, USA
index: 2
- name: Department of Physics and Astronomy, Purdue University, USA
index: 3
- name: Evansville Museum of Arts, History & Science, USA
index: 4
- name : SAIC, Princeton, NJ, USA
index: 5

date: 06 October 2023
bibliography: paper.bib
---

Expand All @@ -35,19 +47,40 @@ The dynamical evolution of planetary systems is dominated by gravitational inter

# Statement of Need

`Swiftest` is a software package designed to model gravitationally dominated systems. The main body of the program is written in Modern Fortran, taking advantage of the object-oriented capabilities included with Fortran 2003 and the parallel capabilities included with Fortran 2008 and Fortran 2018. `Swiftest` also includes a Python package that allows the user to quickly generate input and process output from the main integrator. `Swiftest` uses a NetCDF output file format which makes data analysis with the `Swiftest` Python package a streamlined and flexible process for the user.
`Swiftest` is a software package designed to model gravitationally dominated systems. The main body of the program is written in Modern Fortran, taking advantage of the object-oriented capabilities included with Fortran 2003 and the parallel capabilities included with Fortran 2008 and Fortran 2018. `Swiftest` also includes a Python package that allows the user to quickly generate input, run simulations, and process output from the simulations. `Swiftest` uses a NetCDF output file format which makes data analysis with the `Swiftest` Python package a streamlined and flexible process for the user.

Building off a strong legacy, including its predecessors `Swifter` [@kaufmann_swifter_nodate] and `Swift` [@Levison:1994], `Swiftest` takes the next step in modeling the dynamics of planetary systems by improving the performance and ease of use of software, and by introducing a new collisional fragmentation model. Currently, `Swiftest` includes the four main symplectic integrators included in its predecessors:

Building off a strong legacy, including its predecessors `Swifter` [@Duncan:1998] and `Swift` [@Levison:1994], `Swiftest` takes the next step in modeling gravitationally dominated systems by including collisional fragmentation. Our collisional fragmentation algorithm, `Fraggle` (based on the work of @Leinhardt:2012), is designed to resolve collisions between massive bodies and generate collisional debris. `Swiftest` fully incorporates this debris into the gravitational system, evolving these new bodies along with pre-existing bodies. This allows for a more complete model of the orbital evolution of the system and the growth of massive bodies.
WHM
: Wisdom-Holman method. `WHM` is a symplectic integrator that is best suited for cases in which the orbiting bodies do not have close encounters with each other. For details see @Wisdom:1991.
RMVS
: Regularized Mixed Variable Symplectic. `RMVS` is an extension of `WHM` that handles close approaches between test particles and massive bodies. For details, see @Levison:1994.
HELIO
: Democratic Heliocentric method. This is a basic symplectic integrator that uses democratic heliocentric coordinates instead of the Jacobi coordinates used by `WHM`. Like `WHM` it is not suited for simulating close encoutners between orbiting bodies. For details, see @Duncan:1998.
SyMBA
: Symplectic Massive Body Algorithm. This is an extension of `HELIO` that handles close approaches between massive bodies and any of the other objects in the simulation. It also includes semi-interacting massive bodies that can gravitationally influence fully massive bodies but not each other. This algorithm is described in the @Duncan:1998. See also @Levison:2000.

The combination of modern programming practices, flexible data processing tools, and the latest advances in the field of collisional dynamics make `Swiftest` the ideal tool for studying the formation of planetary systems, the growth of planetary moons, the evolution of asteroid families, and beyond.
All of the integrators that are currently implemented are based symplectic integrators, which are designed to model massive bodies (e.g. planets) or test particles (e.g. asteroids) in orbit of a single dominant central body (e.g. the Sun) for very long periods of times (e.g. Gy). The core components of `Swiftest` were inherited from the `Swift`/`Swifter` codebase, but have been somewhat modified for performance. The `Swift`-family of integerators are most comparable to other symplectic integrators, which are among the most popular numerical methods used to study the long-term dynamics of planetary systems.

# Performance
The `SyMBA` integrator included in `Swiftest` is most similar to the hybrid symplectic integrator `MERCURY6` [@Chambers:1999], the `MERCURIUS` integrator of `REBOUND` [@Rein:2012,@Rein:2015,@rein_welcome_nodate], and the GPU-enabled hybrid symplectic integrators such as `QYMSYM` [@Moore:2011] and `GENGA II` [@Grimm:2022], with some important distinctions. The hybrid symplectic integrators typically employ a symplectic method, such as the original WHM method in Jacobi coordinates or the modified method that uses the Democratic Heliocentric coordinates, only when bodies are far from each other relative to their gravitational spheres of influence (some multiple of a Hill's sphere). When bodies approach each other, the integration is smoothly switched to a non-symplectic method, such as Bulirsch-Stoer or IAS15. In contrast, `SyMBA` is a multi-step method that recursively subdivides the step size of bodies undergoing close approach with each other.

In addition `Swiftest` contains a number of signfigant enhancements relative to its predecessors:
- It includes a fully symplectic implementation of the post-Newtonian correction (General Relativity) as described in @Saha:1994.
- Output data is stored in NetCDF4 (HDF5) format, making data analysis, cross-platform compatibility, and portability far more robust than the flat binary file formats used by its predecessors.
- It makes use of CPU-based parallelization via OpenMP. It also makes use of SIMD instructions, but these are available only when compiled for target host machine rather than when installed from PyPI via pip.
- Simulations can be run by means of a standalone binary driver program, similar to its predecessors, or from a compiled Python module. Both the standalone driver and Python module link to the same compiled library, so they simulations run by either method are identical.
- It comes with an extensive set of Python scripts to help generate simulation initial conditions and post-process simulation results.
- It includes the `Fraggle` collisional fragmentation model that is used to generate collisional fragments on trajectories that conserve linear and angular momentum and lose the appropriate amount of collisional energy for inelastic collisions between massive bodies in `SyMBA` simulations. The collisional outcome is deterimined using standard methods based on the work of @Leinhardt:2012 and @Stewart:2012.


## Performance

Modeling the behavior of thousands of fully interacting bodies over long timescales is computationally expensive, with typical runs taking weeks or months to complete. The addition of collisional fragmentation can quickly generate hundreds or thousands of new bodies in a short time period, creating further computational challenges for traditional \textit{n}-body integrators. As a result, enhancing computational performance was a key aspect of the development of `Swiftest`. Here we show a comparison between the performance of `Swift`, `Swifter-OMP` (a parallel version of `Swifter`), and `Swiftest` on simulations with 1k, 2k, 8k, and 16k fully interacting bodies. The number of cores dedicated to each run is varied from 1 to 24 to test the parallel performance of each program.

\autoref{fig:performance} shows the results of this performance test. We can see that `Swiftest` outperforms `Swifter-OMP` and `Swift` in each simulation set, even when run in serial. When run in parallel, `Swiftest` shows a significant performance boost when the number of bodies is increased. The improved performance of `Swiftest` compared to `Swifter-OMP` and `Swift` is a critical step forward in \textit{n}-body modeling, providing a powerful tool for modeling the dynamical evolution of planetary systems.

![Performance testing of `Swiftest` on systems of (a) 1k, (b) 2k, (c) 8k, and (d) 16k fully interacting massive bodies. All simulations were run using the \textit{SyMBA} integrator included in `Swift`, `Swifter-OMP`, and `Swiftest`. Speedup is measured relative to `Swift` (dashed), with an ideal 1:1 speedup relative to `Swiftest` in serial shown as an upper limit (dotted). The performance of `Swifter-OMP` is shown in green while the performance of `Swiftest` is shown in blue. All simulations were run on the Purdue University Rosen Center for Advanced Computing Brown Community Cluster. Brown contains 550 Dell compute nodes, with each node containing 2 12-core Intel Xeon Gold Sky Lake processors, resulting in 24 cores per node. Each node has 96 GB of memory. \label{fig:performance}](performance.png)
![Performance testing of `Swiftest` on systems of (a) 1k, (b) 2k, (c) 8k, and (d) 16k fully interacting massive bodies. All simulations were run using the \textit{SyMBA} integrator included in `Swift`, `Swifter-OMP` (and earlier attempt to parallelize `Swifter`), and `Swiftest`. Speedup is measured relative to `Swiftest` for 1 CPU (dashed), with an ideal 1:1 speedup shown as an upper limit (dotted). The performance of `Swifter-OMP` is shown in green while the performance of `Swiftest` is shown in blue. All simulations were run on the Purdue University Rosen Center for Advanced Computing Brown Community Cluster. Brown contains 550 Dell compute nodes, with each node containing 2 12-core Intel Xeon Gold Sky Lake processors, resulting in 24 cores per node. Each node has 96 GB of memory. \label{fig:performance}](performance.png)


# Acknowledgements

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